Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
3.8683 0.6573 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 0.2703 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4832 0.1878 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1969 -0.1975 0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8974 -0.2535 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2271 -0.6241 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2094 -0.6414 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2484 0.1644 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7561 1.7065 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9302 -0.0442 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7986 0.6113 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4619 1.0639 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8136 -0.6996 1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7530 -0.5436 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 1.1791 -0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3240 -1.2154 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 0.5483 1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 -0.9539 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9954 0.7593 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2040 -1.6888 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5956 0.0405 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0652 -1.3196 -1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4168 0.8398 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9525 0.1531 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers